ReN
传统材料 TRAMP-ID: mp-1009646 · Space group: P-6m2 (#187)
Basic Information
Formula
ReN
MP-ID
mp-1009646
Elements
2
Sites
2
Density
16.2290
g/cm³
Volume
20.49
ų
Cell a
2.7940
Å
Cell b
2.7940
Å
Cell c
3.0302
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.48 | 3.0302 | 50.3 | (0,0,0,1) |
| 37.16 | 2.4197 | 90.2 | (1,0,-1,0) |
| 48.12 | 1.8908 | 100.0 | (1,0,-1,1) |
| 61.17 | 1.5151 | 8.5 | (0,0,0,2) |
| 66.99 | 1.3970 | 13.0 | (2,-1,-1,0) |
| 66.99 | 1.3970 | 6.5 | (1,1,-2,0) |
| 73.79 | 1.2841 | 25.4 | (1,0,-1,2) |
| 74.84 | 1.2687 | 15.4 | (2,-1,-1,1) |
| 74.84 | 1.2687 | 7.7 | (1,1,-2,1) |
| 79.17 | 1.2098 | 10.6 | (2,0,-2,0) |
| 86.65 | 1.1236 | 19.0 | (2,0,-2,1) |
Energy Properties
Formation Energy/atom
0.55694
eV/atom
Energy/atom
-30.21274
eV/atom
Energy above Hull
0.6163
eV/atom
Uncorrected Energy
-9.7280
eV/atom
Volume/atom
10.24
ų
c/a Ratio
1.0845
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
376.048
GPa
GVRH
8.778
GPa
Young's Modulus E
26.131
GPa
Poisson Ratio ν
0.488
Pugh Ratio K/G
42.840
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-10.919
Lame λ
370.196
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Re · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009646
Reference Citation
The crystal structure and related material properties of ReN were obtained from the Materials Project database (MP-ID: mp-1009646, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_ReN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79398613
_cell_length_b 2.79398613
_cell_length_c 3.03020200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000300
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReN
_chemical_formula_sum 'Re1 N1'
_cell_volume 20.48569440
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re Re0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.66666700 0.33333300 0.50000000 1.0
